2,2-dimethyl-4-[[1-oxidanyl-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-3,4-dihydrochromen-3-ol hydrochloride

Systemtic Name: 2,2-dimethyl-4-[[1-oxidanyl-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-3,4-dihydrochromen-3-ol hydrochloride Openeye Name: 4-[[1-[(4-benzyloxyphenyl)methyl]-2-hydroxy-ethyl]amino]-2,2-dimethyl-chroman-3-ol hydrochloride CAS Name: 4-[[1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-ol hydrochloride IUPAC Name: 4-[[1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-2,2-dimethyl-3,4-dihydrochromen-3-ol hydrochloride Traditional Name: 4-[[1-(4-benzoxybenzyl)-2-hydroxy-ethyl]amino]-2,2-dimethyl-chroman-3-ol hydrochloride Formula: C27H32ClNO4 MolecularWeight: 470.00028

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=CC=CC=C2O1)NC(CC3=CC=C(C=C3)OCC4=CC=CC=C4)CO)O)C.Cl

Isomeric SMILES

CC1(C(C(C2=CC=CC=C2O1)NC(CC3=CC=C(C=C3)OCC4=CC=CC=C4)CO)O)C.Cl

InChI

InChI=1S/C27H31NO4.ClH/c1-27(2)26(30)25(23-10-6-7-11-24(23)32-27)28-21(17-29)16-19-12-14-22(15-13-19)31-18-20-8-4-3-5-9-20;/h3-15,21,25-26,28-30H,16-18H2,1-2H3;1H